Vinblastine-d3 N'b-Oxide Maleic Acid Salt

Analyte Name

Vinblastine-d3 N'b-Oxide Maleic Acid Salt

Molecular Formula

C50H59D3N4O14

Molecular Weight

946.08

Accurate Mass

945.45

SMILES

O=C(O)/C=C\C(O)=O.O=C(OC)[C@]1(O)[C@]2([H])N(C)C3=CC(OC)=C(C=C3[C@]24[C@]5([H])[C@](C=CCN5CC4)(CC)[C@H]1OC(C)=O)[C@](C[C@@H]6C[N@+](CC7)([O-])C[C@@](CC)(O)C6)(C(OC([2H])([2H])[2H])=O)C8=C7C(C=CC=C9)=C9N8

InChI

InChI=1S/C46H58N4O10.C4H4O4/c1-8-42(54)23-28-24-45(40(52)58-6,36-30(15-20-50(56,25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)57-5)48(4)38-44(31)17-19-49-18-12-16-43(9-2,37(44)49)39(60-27(3)51)46(38,55)41(53)59-7;5-3(6)1-2-4(7)8/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t28-,37+,38-,39-,42+,43-,44-,45+,46+,50+;/m1./s1/i6D3;

IUPAC

(3S,5S,7S,9S)-9-((3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-5-ethyl-5-hydroxy-9-((methoxy-d3)carbonyl)-1,4,5,6,7,8,9,10-octahydro-3,7-methano[1]azacycloundecino[5,4-b]indole 3(2H)-oxide maleate

Unlabelled CAS Number

947607-87-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat